5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide

C12H20N2O5S2 — CID 43246908

IUPAC5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H20N2O5S2/c1-3-4-7-20(15,16)14-9-10-5-6-11(19-2)12(8-10)21(13,17)18/h5-6,8,14H,3-4,7,9H2,1-2H3,(H2,13,17,18)
InChIKeyWHNYNVVLKURBDB-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.56
Rot. Bonds8

About 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide

5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide (PubChem CID 43246908) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
PubChem CID43246908
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H20N2O5S2/c1-3-4-7-20(15,16)14-9-10-5-6-11(19-2)12(8-10)21(13,17)18/h5-6,8,14H,3-4,7,9H2,1-2H3,(H2,13,17,18)
InChIKeyWHNYNVVLKURBDB-UHFFFAOYSA-N
XLogP0.56
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 110787616
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[(3-amino-4-methoxyphenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55259376
2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
CID 47371399
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268

Frequently Asked Questions

What is the IUPAC name of 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide (CID 43246908) is 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide is CCCCS(=O)(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is WHNYNVVLKURBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-3-4-7-20(15,16)14-9-10-5-6-11(19-2)12(8-10)21(13,17)18/h5-6,8,14H,3-4,7,9H2,1-2H3,(H2,13,17,18).
What are the key properties of 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide?
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43246908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).